SCHEMBL23770334

SCHEMBL23770334

CC(C)CCCCNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX1 P07099 2/20 0.40
DRD4 P21917 9/20 0.39
DRD2 P14416 8/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21533856 0.94 POLB (0.47) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25725909 0.87 EPHX2 (0.39) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12015001 0.85 ANPEP (0.44) POLBSMN1; SMN2MAPK1GAA
SCHEMBL18622113 0.85 POLB (0.57) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11704453 0.83 MEN1 (0.42) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10633351 0.83 MEN1 (0.58) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4530231 0.82 ALDH1A1 (0.69) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23265688 0.82 POLB (0.47) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13446740 0.82 EPHX1 (0.43) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21165844 0.81 EPHX1 (0.41) POLBALDH1A1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253558-A1 Inhibitors of Prolyl-tRNA-Synthetase PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-08-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210253558-A1 Inhibitors of Prolyl-tRNA-Synthetase GARS1, AARS1, TRMT1 POLB 318/4885ALDH1A1 2372/4885SMN1; SMN2 1201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.